(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide

C10H14ClN3OS — CID 81425127

IUPAC(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN3OS/c1-16-5-4-8(12)10(15)14-7-2-3-9(11)13-6-7/h2-3,6,8H,4-5,12H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyWCPZHZRZEISLLR-QMMMGPOBSA-N
MW259.76 g/mol
LogP1.75
Rot. Bonds5

About (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 81425127) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID81425127
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN3OS/c1-16-5-4-8(12)10(15)14-7-2-3-9(11)13-6-7/h2-3,6,8H,4-5,12H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyWCPZHZRZEISLLR-QMMMGPOBSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
CID 104908861
(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 104906808
(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 104908933
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide;dihydrochloride
CID 119854939
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
ethyl N-[4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]carbamate
CID 104907269
(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119263179
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-chlorobenzamide
CID 61179378
(2S)-2-amino-N-(4-chloro-3-methoxyphenyl)-4-methylsulfanylbutanamide
CID 107621717
(2R)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methylsulfanylbutanamide
CID 104907564
(2S)-2-amino-N-(2-chloropyrimidin-4-yl)-4-methylsulfanylbutanamide
CID 104893497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide (CID 81425127) is (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is WCPZHZRZEISLLR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-16-5-4-8(12)10(15)14-7-2-3-9(11)13-6-7/h2-3,6,8H,4-5,12H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide has a molecular weight of 259.76 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 81425127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).